Application of Molecular Modelling studies to the search of novel approaches for neuroprotection and stem cells applications

During the three years of my PhD, my research work has been focusing on the application of molecular modelling studies to the search of novel approaches for neuroprotective treatments, and to the development of new tools for the control of stem cells proliferation and differentiation. The research fields that I have been interested in cover a wide and constantly evolving branch of the modern medicinal chemistry. In this PhD project, I focused on the endocannabinoid system as a pharmaceutical target for neuroprotective treatments. More specifically, I considered the enzyme responsible for the degradation of the endocannabinoids 2-arachidonoylglrycerol (2-AG) and arachidonoyl ethanolamide (AEA) as pharmaceutical target for neuroprotective treatments. Beside this, I applied molecular modelling studies to identify the first small molecules selectively targeting the protein-protein complex YAP-TEAD. This complex, being involved in crucial events for the control of cell proliferation, represents a target of outstanding importance in the field of regenerative medicine, as well as in the research on novel anticancer treatments